Compound Identification
SMILES
COC1=CC2=C(C=CC(C)(C)O2)C(NC2=C(C3=CC=CC=C3C=C2C(O)=O)[N+]([O-])=O)=C1
InChIKey
InChIKey=RTTZJXKIFWSGRB-UHFFFAOYSA-N
Formula
C23H20N2O6
Mass
420.421
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
-
Subclass
1-benzopyrans
-
Level 5
2,2-dimethyl-1-benzopyrans
- Level 6 Precocenes
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Level 5
2,2-dimethyl-1-benzopyrans
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Subclass
1-benzopyrans
-
Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
2,2-dimethyl-1-benzopyrans
Direct Parent
Precocenes
Alternative Parents
Nitronaphthalenes Naphthalenecarboxylic acids Nitrobenzoic acids and derivatives Methoxyanilines Anisoles Nitroaromatic compounds Alkyl aryl ethers Primary aromatic amines Vinylogous amides Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Carboxylic acids Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Precocene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - Nitrobenzoate - Naphthalene - Methoxyaniline - Anisole - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Benzenoid - Primary aromatic amine - Vinylogous amide - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Amino acid - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as precocenes. These are aromatic heteropolycyclic compounds that contain a 2,2-dimethyl-1-benzopyran moiety, which carries a methoxy group at the ring 7-position.
External Descriptors
Not available